Chemical ID: 5914526

CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CC3
Chemical ID:
5914526
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide
SMILES [?]:
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CC3
InChi [?]:
InChI=1/C23H30N2O3S/c1-2-28-14-7-13-24(23(27)20-11-12-20)18-22(26)25(17-21-10-6-15-29-21)16-19-8-4-3-5-9-19/h3-6,8-10,15,20H,2,7,11-14,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,22,5,14,18,21,28,29,6,4,23,12,19,8,13,27,20,9,25,7,11,10,26,3,24/E:(4,5)(8,9)(11,12)/rA:29nCCOCCCNCCONCCCCCCCCCCCCSCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s7;d25;s25;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6221
Area:673.527
Solvation:-5.2161
Coulombic:-42.2179
Bond Count [?]
All:31
Single:24
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:414.562
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.45
LogP (Chemaxon):2.52

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Descriptor Annotations

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